4-[[4-[2-(4-methoxyphenyl)ethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-methoxyphenyl)ethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-methoxyphenyl)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-methoxyphenyl)ethyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-methoxyphenyl)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-methoxyphenyl)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C21H27N3O+2 MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CC[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N3O/c1-25-21-8-6-18(7-9-21)10-11-23-12-14-24(15-13-23)17-20-4-2-19(16-22)3-5-20/h2-9H,10-15,17H2,1H3/p+2